CID 11506804

2-chloro-n-(3,4-difluorophenyl)propanamide

Structural Information

Molecular Formula
C9H8ClF2NO
SMILES
CC(C(=O)NC1=CC(=C(C=C1)F)F)Cl
InChI
InChI=1S/C9H8ClF2NO/c1-5(10)9(14)13-6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14)
InChIKey
UOBXVFFWVLAFHO-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,4-difluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02625 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03353 140.5
[M+Na]+ 242.01547 149.7
[M-H]- 218.01897 141.9
[M+NH4]+ 237.06007 159.8
[M+K]+ 257.98941 145.6
[M+H-H2O]+ 202.02351 134.0
[M+HCOO]- 264.02445 157.9
[M+CH3COO]- 278.04010 189.9
[M+Na-2H]- 240.00092 143.5
[M]+ 219.02570 139.7
[M]- 219.02680 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.